N-[(4-ethylphenyl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-[(4-ethylphenyl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
| Compound ID: | L461-0536 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C24 H29 N5 O2 S |
| Smiles: | CCc1ccc(CNC(CCC(N2CCCN(CC2)c2nc3cccnc3s2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.097 |
| logD: | 3.0932 |
| logSw: | -3.1679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.363 |
| InChI Key: | BWBXZAVMJBMHBI-UHFFFAOYSA-N |